Geometry & MOs

Info

ID:

430996

PubChem CID:

135171066

Reduced:

O3N5C27H30 (2)

Stoich.:

A3B5C27D30 (2)

Weight, g/mol:

364.189926

ΔHf, kcal/mol:

-57.62

Dipole, Da:

3.83

IP(EA), eV:

 -8.72(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[(1S)-3-(1,2-oxazol-4-ylmethylamino)cyclohex-3-en-1-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)N[C@H]4CCC5=C(C4)C=CC(=C5)CC6=CC(=NN=C6N7CCC(CC7)OC8=CN=C(C=C8)OC)C(=O)NC9CCC1=CC=CC=C1C9

DOS

IR

Vibrations